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Orthogonal operators: extension to hyperfine structure and equivalent p- and f-electrons.

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Title: Orthogonal operators: extension to hyperfine structure and equivalent p- and f-electrons.
Authors: Uylings, Peter1 (AUTHOR) p.uylings@contact.uva.nl, Raassen, Ton1,2 (AUTHOR)
Source: European Physical Journal D (EPJ D). Apr2024, Vol. 78 Issue 4, p1-9. 9p.
Subjects: Hyperfine structure, Rare earth metals, Actinide elements, Eigenvalues
Abstract: Orthogonal operators are a next step in the semi-empirical description of complex spectra. Orthogonality yields optimal independence and thus least correlation between the operators. The increased stability of the fitting process is used to include higher-order many-body as well as fully relativistic effects. The calculated eigenvalues are frequently an order of magnitude more accurate with respect to a conventional semi-empirical approach. The resulting eigenvectors may not only be put to use to calculate transition probabilities and g-factors, but also to calculate hyperfine structure A and B constants. We illustrate our first steps in this field with two examples of first spectra of the iron group elements. The results are compared to current experimental hyperfine structure A-values while strong and weak points of the method are discussed. In particular to be able to deal with lanthanides and actinides, the orthogonal operator method is completed with the definition of operators for equivalent p- and f-electrons. [ABSTRACT FROM AUTHOR]
Copyright of European Physical Journal D (EPJ D) is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Orthogonal operators: extension to hyperfine structure and equivalent p- and f-electrons.
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  Data: <searchLink fieldCode="AR" term="%22Uylings%2C+Peter%22">Uylings, Peter</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> p.uylings@contact.uva.nl</i><br /><searchLink fieldCode="AR" term="%22Raassen%2C+Ton%22">Raassen, Ton</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22European+Physical+Journal+D+%28EPJ+D%29%22">European Physical Journal D (EPJ D)</searchLink>. Apr2024, Vol. 78 Issue 4, p1-9. 9p.
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  Data: <searchLink fieldCode="DE" term="%22Hyperfine+structure%22">Hyperfine structure</searchLink><br /><searchLink fieldCode="DE" term="%22Rare+earth+metals%22">Rare earth metals</searchLink><br /><searchLink fieldCode="DE" term="%22Actinide+elements%22">Actinide elements</searchLink><br /><searchLink fieldCode="DE" term="%22Eigenvalues%22">Eigenvalues</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: Orthogonal operators are a next step in the semi-empirical description of complex spectra. Orthogonality yields optimal independence and thus least correlation between the operators. The increased stability of the fitting process is used to include higher-order many-body as well as fully relativistic effects. The calculated eigenvalues are frequently an order of magnitude more accurate with respect to a conventional semi-empirical approach. The resulting eigenvectors may not only be put to use to calculate transition probabilities and g-factors, but also to calculate hyperfine structure A and B constants. We illustrate our first steps in this field with two examples of first spectra of the iron group elements. The results are compared to current experimental hyperfine structure A-values while strong and weak points of the method are discussed. In particular to be able to deal with lanthanides and actinides, the orthogonal operator method is completed with the definition of operators for equivalent p- and f-electrons. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of European Physical Journal D (EPJ D) is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1140/epjd/s10053-024-00828-4
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      – Code: eng
        Text: English
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      – SubjectFull: Hyperfine structure
        Type: general
      – SubjectFull: Rare earth metals
        Type: general
      – SubjectFull: Actinide elements
        Type: general
      – SubjectFull: Eigenvalues
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      – TitleFull: Orthogonal operators: extension to hyperfine structure and equivalent p- and f-electrons.
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              Text: Apr2024
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